11alpha-Hydroxy-5beta-Pregnane-3,20-Dione
[CAS# 565-93-5]

Identification

• Name: 11alpha-Hydroxy-5beta-Pregnane-3,20-Dione
• Synonyms: (5R,8S,9S,10S,11R,13S,14S,17S)-17-Ethanoyl-11-Hydroxy-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-One; 11Alpha-Hydroxy-5Beta-Pregnane-3,20-Dione; C15355
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48
• CAS Registry Number: 565-93-5
• SMILES: [C@H]1(C(C)=O)CC[C@@H]3[C@]1(C)C[C@H]([C@@H]4[C@]2(CCC(=O)C[C@H]2CC[C@@H]34)C)O
• InChI: 1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15+,16-,17+,18-,19-,20+,21-/m1/s1
• InChIKey: XHCCPSKYYJBSAA-JMQWGRHHSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 468.073°C at 760 mmHg (Cal.)
• Flash point: 250.998°C (Cal.)